CID 3040516

Spiro(1,3-benzodioxole-2,1'-cyclohexane)-2-methylamine, n-(2-(diethylamino)ethyl)-, dimaleate

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCN(CC)CCNCC1CCCCC12OC3=CC=CC=C3O2
InChI
InChI=1S/C19H30N2O2/c1-3-21(4-2)14-13-20-15-16-9-7-8-12-19(16)22-17-10-5-6-11-18(17)23-19/h5-6,10-11,16,20H,3-4,7-9,12-15H2,1-2H3
InChIKey
HMWPSQRKLTZRMJ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 178.6
[M+Na]+ 341.219958 181.4
[M-H]- 317.223464 185.9
[M+NH4]+ 336.264563 195.1
[M+K]+ 357.193898 180.6
[M+H-H2O]+ 301.228000 170.9
[M+HCOO]- 363.228941 197.0
[M+CH3COO]- 377.244591 214.3
[M+Na-2H]- 339.205406 182.9
[M]+ 318.23019142 178.4
[M]- 318.23128858 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.